SCHEMBL12685994

SCHEMBL12685994

COc1ccc(/C=N/Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.71
▸ KMT2A Q03164 8/20 0.71
▸ MEN1 O00255 7/20 0.71
▸ KDM4E B2RXH2 4/20 0.66
▸ LMNA P02545 6/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MAPK1 P28482 1/20 0.52
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ PIKFYVE Q9Y2I7 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23345459 0.78 KMT2A (0.72) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL12820169 0.78 MAPT (0.66) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL23345481 0.78 KMT2A (0.70) MAPTKMT2AMEN1LMNANPSR1
SCHEMBL8238479 0.77 MAPT (0.61) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL23345456 0.77 MAPT (0.83) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL11900786 0.77 MAPT (0.67) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL11900782 0.77 MAPT (0.67) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL23345514 0.76 MAPT (0.71) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL23345473 0.76 MAPT (0.71) MAPTKMT2AMEN1KDM4ELMNA
SCHEMBL11812589 0.76 LMNA (0.94) MAPTKMT2AMEN1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012115575-A1 DERIVATIVES FOR INDUCING OSTEOGENIC DIFFERENTIATION BIOMATCELL AB (SE) 2012-08-30 — — WO disclosed
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